Information card for entry 2240905
Chemical name |
2-(2-Methylphenyl)-1,3-thiazolo[4,5-<i>b</i>]pyridine |
Formula |
C13 H10 N2 S |
Calculated formula |
C13 H10 N2 S |
SMILES |
c1(c2c(cccc2)C)nc2c(cccn2)s1 |
Title of publication |
Crystal structure of 2-(2-methylphenyl)-1,3-thiazolo[4,5-<i>b</i>]pyridine |
Authors of publication |
El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Alanazi, Saud A.; Kariuki, Benson M. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2015 |
Journal volume |
71 |
Journal issue |
8 |
Pages of publication |
o562 - o563 |
a |
7.6702 ± 0.0001 Å |
b |
12.6492 ± 0.0003 Å |
c |
22.9821 ± 0.0005 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
2229.77 ± 0.08 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
4 |
Space group number |
61 |
Hermann-Mauguin space group symbol |
P b c a |
Hall space group symbol |
-P 2ac 2ab |
Residual factor for all reflections |
0.0401 |
Residual factor for significantly intense reflections |
0.035 |
Weighted residual factors for significantly intense reflections |
0.0995 |
Weighted residual factors for all reflections included in the refinement |
0.1056 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.025 |
Diffraction radiation wavelength |
1.54184 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2240905.html